1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol

Base Information

• Chemical Name: 1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol
• CAS No.: 6298-23-3
• Molecular Formula: C20H30O2
• Molecular Weight: 302.451
• NSC Number: 45928
• DSSTox Substance ID: DTXSID20286465,DTXSID10978862
• Nikkaji Number: J2.791.525F
• Wikidata: Q27148627

Synonyms:1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol;6298-23-3;8-(hydroxymethyl)-4b,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol;CHEBI:79531;DTXSID10978862;DTXSID20286465;ZSMYLYMVTJVQIR-UHFFFAOYSA-N;NSC45928;NSC-45928;Abieta-8,11,13-triene-12,18-diol #;FT-0698048;Abieta-8(14),9(11),12-triene-12,18-diol;Q27148627;6-Hydroxy-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenemethanol, (1.alpha., 4a.beta., 10a.alpha)-

Chemical Property of 1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol

Chemical Property:

• Vapor Pressure: 2.98E-08mmHg at 25°C
• Boiling Point: 432.6°Cat760mmHg
• Flash Point: 193°C
• Density: 1.048g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 407

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)CO)C)O

Technology Process of 1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol

There total 25 articles about 1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

12-(benzyloxy)abieta-8,11,13-trien-19-ol (1260143-29-0) → 19-hydroxyferruginol (30320-64-0,6298-23-3)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 1h;

DOI:10.1055/s-0030-1258226

Reference yield: 95.0%

C27H44O3Si (959681-33-5) → 19-hydroxyferruginol (30320-64-0,6298-23-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 12h; Heating;

DOI:10.1055/s-2007-985586

Reference yield: 93.0%

(1R,4aS,10aR)-6-Hydroxy-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester (13742-23-9) → 18-Hydroxyferruginol (22595-48-8,6298-23-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2006.12.009

upstream raw materials:

13-isopropyl-12-methoxypodocarpa-8,11,13-trien-19-ol

C₂₇H₄₄O₃Si

methyl (+)-12-methoxyabieta-8,11,13-trien-19-oate

methyl 13-α-hydroxyisopropyl-12-methoxypodocarpa-8,11,13-trien-19-oate

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